(2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

C17H31N3O — CID 125118489

IUPAC(2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCN1CC[C@H](N(C)C(=O)[C@H]2CC23CCNCC3)[C@H](C)C1
InChIInChI=1S/C17H31N3O/c1-4-20-10-5-15(13(2)12-20)19(3)16(21)14-11-17(14)6-8-18-9-7-17/h13-15,18H,4-12H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyNDOWNQCNCHVZFE-KFWWJZLASA-N
MW293.46 g/mol
LogP1.56
Rot. Bonds3

About (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide

(2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 125118489) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID125118489
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name(2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
SMILESCCN1CC[C@H](N(C)C(=O)[C@H]2CC23CCNCC3)[C@H](C)C1
InChIInChI=1S/C17H31N3O/c1-4-20-10-5-15(13(2)12-20)19(3)16(21)14-11-17(14)6-8-18-9-7-17/h13-15,18H,4-12H2,1-3H3/t13-,14-,15+/m1/s1
InChIKeyNDOWNQCNCHVZFE-KFWWJZLASA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

N-(1-ethyl-3-methylpiperidin-4-yl)-N-methylmorpholine-2-carboxamide
CID 119893451
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CID 119893413
N-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-piperidin-4-ylpropanamide
CID 125120849
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119893449
N-(1-ethyl-3-methylpiperidin-4-yl)-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119893453
1-N,3-N-bis(1-ethyl-3-methylpiperidin-4-yl)-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166198840
1-[(3R,4R)-1-ethyl-3-methylpiperidin-4-yl]-3-(2-methoxyethyl)-1-methylurea
CID 96542994
(2S)-N-[(1R,3R)-3-ethoxy-2,2-dimethylcyclobutyl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide
CID 125118445
4-ethyl-N-methyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 63128396
6-azaspiro[2.5]octan-2-yl-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 104958673
3-[(1-ethyl-3-methylpiperidin-4-yl)-methylamino]propan-1-ol
CID 111543942
(3R)-3-amino-N-[(3S,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124683430

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide (CID 125118489) is (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is CCN1CC[C@H](N(C)C(=O)[C@H]2CC23CCNCC3)[C@H](C)C1.
What is the InChIKey of (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NDOWNQCNCHVZFE-KFWWJZLASA-N. The full InChI is InChI=1S/C17H31N3O/c1-4-20-10-5-15(13(2)12-20)19(3)16(21)14-11-17(14)6-8-18-9-7-17/h13-15,18H,4-12H2,1-3H3/t13-,14-,15+/m1/s1.
What are the key properties of (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide?
(2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 293.46 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R,4S)-1-ethyl-3-methylpiperidin-4-yl]-N-methyl-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 125118489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).